1-hexyl-3-methylimidazol-3-ium iodide

C10H19IN2 — CID 12036651

IUPAC1-hexyl-3-methylimidazol-3-ium iodide
SMILESCCCCCCn1cc[n+](C)c1.[I-]
InChIInChI=1S/C10H19N2.HI/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1
InChIKeyCZIUVCSYOGFUPH-UHFFFAOYSA-M
MW294.18 g/mol
LogP-1.10
Rot. Bonds5

About 1-hexyl-3-methylimidazol-3-ium iodide

1-hexyl-3-methylimidazol-3-ium iodide (PubChem CID 12036651) has the molecular formula C10H19IN2 and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-hexyl-3-methylimidazol-3-ium iodide.

Molecular Properties

Compound Name1-hexyl-3-methylimidazol-3-ium iodide
PubChem CID12036651
Molecular FormulaC10H19IN2
Molecular Weight294.18 g/mol
Exact Mass294.06
IUPAC Name1-hexyl-3-methylimidazol-3-ium iodide
SMILESCCCCCCn1cc[n+](C)c1.[I-]
InChIInChI=1S/C10H19N2.HI/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1
InChIKeyCZIUVCSYOGFUPH-UHFFFAOYSA-M
XLogP-1.10
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-methylimidazol-3-ium iodide?
The IUPAC name of 1-hexyl-3-methylimidazol-3-ium iodide (CID 12036651) is 1-hexyl-3-methylimidazol-3-ium iodide.
What is the SMILES notation for 1-hexyl-3-methylimidazol-3-ium iodide?
The canonical SMILES for 1-hexyl-3-methylimidazol-3-ium iodide is CCCCCCn1cc[n+](C)c1.[I-].
What is the InChIKey of 1-hexyl-3-methylimidazol-3-ium iodide?
The InChIKey is CZIUVCSYOGFUPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19N2.HI/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-hexyl-3-methylimidazol-3-ium iodide?
1-hexyl-3-methylimidazol-3-ium iodide has a molecular weight of 294.18 g/mol, XLogP of -1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-methylimidazol-3-ium iodide is sourced from PubChem (CID 12036651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).